Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 4/20 | 0.34 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | CBX7 | O95931 | 1/20 | 0.34 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.34 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.34 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9539767 | 0.84 | AKR1B1 (0.48) | AKR1B1IDO1MAPTAKR1C3PGR | |
| SCHEMBL9539179 | 0.83 | ADAMTS5 (0.42) | MAPTCBX7CDYLPTGDR2 | |
| SCHEMBL9542678 | 0.82 | AKR1B1 (0.38) | AKR1B1IDO1MAPTAKR1C3PGR | |
| SCHEMBL4594261 | 0.80 | AKR1B1 (0.43) | AKR1B1IDO1MAPTAKR1C3PGR | |
| SCHEMBL21939397 | 0.80 | AKR1B1 (0.41) | AKR1B1IDO1MAPTPGRHTR7 | |
| SCHEMBL11388713 | 0.79 | MDM2 (0.46) | AKR1B1IDO1CBX7CDYL2CDYL | |
| SCHEMBL9540100 | 0.78 | AKR1C3 (0.37) | AKR1B1MAPTAKR1C3PGRCYP46A1 | |
| SCHEMBL9539085 | 0.76 | AKR1C3 (0.36) | AKR1B1MAPTAKR1C3PGRCYP46A1 | |
| SCHEMBL9540059 | 0.76 | PGR (0.40) | AKR1B1MAPTAKR1C3PGR | |
| SCHEMBL9539046 | 0.74 | PGR (0.38) | MAPTAKR1C3PGR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1071917-A | Quinazoline derivant as human immunodeficiency virus reversed transcriptive enzyme antagonist | MERCK & CO INC (US) | 1993-05-12 | — | — | CN | claimed |
| EP-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | claimed |
| CN-1071917-A | Quinazoline derivant as human immunodeficiency virus reversed transcriptive enzyme antagonist | MERCK & CO INC (US) | 1993-05-12 | — | — | CN | disclosed |
| EP-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |